CHEMICAL AND PHYSICAL PROPERTIES
Physical Description | Liquid; bp = 34-36 deg C; [MSDSonline] |
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Vapor Pressure | 517.0 [mmHg] |
Kovats Retention Index | 482 483 |
Chemical Classes | Other Classes -> Other Organic Compounds |
SAFETY INFORMATION
Signal word | Danger |
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Pictogram(s) |
Flame Flammables GHS02 Exclamation Mark Irritant GHS07 |
GHS Hazard Statements |
H224:Flammable liquids H302:Acute toxicity,oral |
Precautionary Statement Codes |
P210:Keep away from heat/sparks/open flames/hot surfaces. — No smoking. P233:Keep container tightly closed. P240:Ground/bond container and receiving equipment. P241:Use explosion-proof electrical/ventilating/lighting/…/equipment. P301+P312:IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell. P403+P235:Store in a well-ventilated place. Keep cool. |
COMPUTED DESCRIPTORS
Molecular Weight | 72.11 g/mol |
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XLogP3 | 1.2 |
Hydrogen Bond Donor Count | 0 |
Hydrogen Bond Acceptor Count | 1 |
Rotatable Bond Count | 1 |
Exact Mass | 72.057514874 g/mol |
Monoisotopic Mass | 72.057514874 g/mol |
Topological Polar Surface Area | 9.2 Ų |
Heavy Atom Count | 5 |
Formal Charge | 0 |
Complexity | 38.9 |
Isotope Atom Count | 0 |
Defined Atom Stereocenter Count | 0 |
Undefined Atom Stereocenter Count | 0 |
Defined Bond Stereocenter Count | 0 |
Undefined Bond Stereocenter Count | 0 |
Covalently-Bonded Unit Count | 1 |
Compound Is Canonicalized | Yes |